3OXF
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-04 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.99985 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.991, 117.990, 82.808 |
| Unit cell angles | 90.00, 91.78, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.820 |
| R-factor | 0.2132 |
| Rwork | 0.211 |
| R-free | 0.26080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mek |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.065 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.122 | 0.072 | 0.339 |
| Rmeas | 0.122 | ||
| Total number of observations | 86956 | ||
| Number of reflections | 26338 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 97.9 | 97 | 94.4 |
| Redundancy | 3.3 | 3.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 14.4% PEG 8000, 20% glycerol, 160mM calcium acetate, and 80mM sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
